1,4-Butanediol
- Formula: C4H10O2
- Molecular weight: 90.1210
- IUPAC Standard InChIKey: WERYXYBDKMZEQL-UHFFFAOYSA-N
- CAS Registry Number: 110-63-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Diol 14B; Sucol B; Tetramethylene glycol; 1,4-Butylene glycol; 1,4-Dihydroxybutane; 1,4-Tetramethylene glycol; Butane-1,4-diol; Butanediol; 1,4-BD; Tetramethylene 1,4-diol; BDO; Butylene glycol; Dabco BDO; Butane diol-1,4; NSC 406696
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -101.8 ± 1.4 | kcal/mol | Ccr | Knauth and Sabbah, 1990 | see Knauth and Sabbah, 1989 |
ΔfH°gas | -102.0 ± 0.6 | kcal/mol | Ccb | Gardner and Hussain, 1972 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -120.8 ± 1.4 | kcal/mol | Ccr | Knauth and Sabbah, 1990 | see Knauth and Sabbah, 1989; ALS |
ΔfH°liquid | -120.3 ± 0.5 | kcal/mol | Ccb | Gardner and Hussain, 1972 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -596.4 ± 1.4 | kcal/mol | Ccr | Knauth and Sabbah, 1990 | see Knauth and Sabbah, 1989; Corresponding ΔfHºliquid = -121.3 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -597.50 ± 0.48 | kcal/mol | Ccb | Gardner and Hussain, 1972 | Corresponding ΔfHºliquid = -120.28 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 53.39 | cal/mol*K | N/A | Nistratov, Babinkov, et al., 1979 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
47.83 | 298.15 | Nistratov, Babinkov, et al., 1979 | T = 5 to 320 K.; DH |
42.5 | 297.79 | Petit and TerMinassian, 1974 | T = 297 to 470 K. Value is unsmoothed experimental datum.; DH |
Phase change data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 503.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 502.88 | K | N/A | Markovnik, Sachek, et al., 1981 | Uncertainty assigned by TRC = 0.05 K; TRC |
Tboil | 501.15 | K | N/A | Mellan, 1962 | Uncertainty assigned by TRC = 2. K; TRC |
Tboil | 503.15 | K | N/A | Mellan, 1962 | Uncertainty assigned by TRC = 2. K; TRC |
Tboil | 501.15 | K | N/A | Clendenning, Macdonald, et al., 1950 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 300. ± 40. | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 289.9 | K | N/A | Knauth and Sabbah, 1990, 2 | Uncertainty assigned by TRC = 0.1 K; TRC |
Ttriple | 293.58 | K | N/A | Vasil'ev and Petrov, 1984 | Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 293.38 | K | N/A | Nistratov, Babinkov, et al., 1979, 2 | Uncertainty assigned by TRC = 0.1 K; TRC |
Ttriple | 293.58 | K | N/A | Nistratov, Babinkov, et al., 1979, 2 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 727. | K | N/A | Wilson, Wilson, et al., 1996 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 61.39 | atm | N/A | Wilson, Wilson, et al., 1996 | Uncertainty assigned by TRC = 1.48 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 18.6 ± 0.7 | kcal/mol | AVG | N/A | Average of 8 values; Individual data points |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
393.2 | 0.013 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
17. | 395. | A | Stephenson and Malanowski, 1987 | Based on data from 380. to 510. K.; AC |
18.3 ± 0.4 | 419. | V | Gardner and Hussain, 1972 | ALS |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
4.4694 | 293.58 | Nistratov, Babinkov, et al., 1979 | DH |
4.47 | 293.6 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
15.23 | 293.58 | Nistratov, Babinkov, et al., 1979 | DH |
Reaction thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C4H9O2- + =
By formula: C4H9O2- + H+ = C4H10O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 356.1 ± 2.5 | kcal/mol | G+TS | Crowder and Bartmess, 1993 | gas phase; ΔGacid at 80°C |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 354.6 ± 2.0 | kcal/mol | IMRE | Crowder and Bartmess, 1993 | gas phase; ΔGacid at 80°C |
ΔrG° | 360.20 ± 0.30 | kcal/mol | CIDC | Houriet, Tabet, et al., 1984 | gas phase; value altered from reference due to change in acidity scale |
By formula: (Cl- • C4H10O2) + C4H10O2 = (Cl- • 2C4H10O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.20 ± 0.80 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.6 ± 1.0 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase |
By formula: Cl- + C4H10O2 = (Cl- • C4H10O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.2 ± 1.7 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 17.5 ± 1.0 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase |
Henry's Law data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
>100000. | E | N/A | Value obtained by missing citation using the group contribution method. | |
<5.0×10+6 | E | N/A | Value obtained by missing citation using the group contribution method. |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 218.8 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 204.3 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Proton affinity at 298K
Proton affinity (kcal/mol) | Reference | Comment |
---|---|---|
>209.1 | Bouchoux, Buisson, et al., 2003 | MM |
>208.3 | Bouchoux, Buisson, et al., 2003 | MM |
>211.4 ± 0.1 | Bouchoux, Buisson, et al., 2003 | MM |
Gas basicity at 298K
Gas basicity (review) (kcal/mol) | Reference | Comment |
---|---|---|
201.6 | Bouchoux, Buisson, et al., 2003 | MM |
201.1 | Bouchoux, Buisson, et al., 2003 | MM |
203.8 ± 0.1 | Bouchoux, Buisson, et al., 2003 | MM |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C3H6+ | 11.1 ± 0.1 | H2O+CH2O | EI | Holmes, Mommers, et al., 1984 | LBLHLM |
C3H8O+ | 10.70 ± 0.05 | CH2O | EI | Holmes, Mommers, et al., 1984 | LBLHLM |
De-protonation reactions
C4H9O2- + =
By formula: C4H9O2- + H+ = C4H10O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 356.1 ± 2.5 | kcal/mol | G+TS | Crowder and Bartmess, 1993 | gas phase; ΔGacid at 80°C; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 354.6 ± 2.0 | kcal/mol | IMRE | Crowder and Bartmess, 1993 | gas phase; ΔGacid at 80°C; B |
ΔrG° | 360.20 ± 0.30 | kcal/mol | CIDC | Houriet, Tabet, et al., 1984 | gas phase; value altered from reference due to change in acidity scale; B |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: Cl- + C4H10O2 = (Cl- • C4H10O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.2 ± 1.7 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 17.5 ± 1.0 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase |
By formula: (Cl- • C4H10O2) + C4H10O2 = (Cl- • 2C4H10O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.20 ± 0.80 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.6 ± 1.0 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase |
IR Spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Download spectrum in JCAMP-DX format.
Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Forensic Spectral Research |
State | GAS |
Instrument | Nicolet Nexus |
Path length | 8.36 |
Resolution | 4.0009 |
Data processing | small amount of water vapor stubtracted out |
Sample description | 99+% ALDRICH 24,055-9 LOT#06606M; 7cm gold plated vapor cell with KBr windows |
Sample temp. (C) | 230 C |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center, 1998. |
NIST MS number | 291303 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Apiezon L | 160. | 900. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Packed | SE-30 | 175. | 931. | Casteignau and Villessot, 1968 | Column length: 3. m |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | PEG-2000 | 179. | 1890. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 180. | 1911. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 200. | 1870. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 200. | 1911. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 912.4 | Sun and Stremple, 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 325. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 922. | Peng, 2000 | 15. m/0.53 mm/1. μm, He; Program: 40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min) |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 1861. | Shibamoto, 1987 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Knauth and Sabbah, 1990
Knauth, P.; Sabbah, R.,
Energetics of intra- and intermolecular bonds in ω-alkanediols (II) Thermochemical study of 1,2-ethanediol, 1,3-propanediol, 1,4-butanediol, and 1,5-pentanediol at 298.15K,
Struct. Chem., 1990, 1, 43-46. [all data]
Knauth and Sabbah, 1989
Knauth, P.; Sabbah, R.,
Combustion calorimetry on milligram samples of liquid substances with a CRMT rocking bomb calorimeter. Application to the study of ω-alkanediol at 298.15 K,
J. Chem. Thermodyn., 1989, 21, 203-210. [all data]
Gardner and Hussain, 1972
Gardner, P.J.; Hussain, K.S.,
The standard enthalpies of formation of some aliphatic diols,
J. Chem. Thermodyn., 1972, 4, 819-827. [all data]
Nistratov, Babinkov, et al., 1979
Nistratov, V.P.; Babinkov, A.G.; Shvetsova, K.G.; Lapteva, S.A.,
Heat capacity and termodynamic functions of tetramethyleneglycol,
Termodin. Org. Soedin., 1979, (8), 33-36. [all data]
Petit and TerMinassian, 1974
Petit, J.C.; TerMinassian, L.,
Measurements of (dV/dT)p, (dV/dP)T, and (dH/dT)p by flux calorimetry,
J. Chem. Thermodynam., 1974, 6, 1139-1152. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Markovnik, Sachek, et al., 1981
Markovnik, V.S.; Sachek, A.I.; Peshchenko, A.D.; Shvaro, O.V.; Andreyevskii, D.N.,
Vapor pressure of some glycols
in Terodinamika Organ. Soedinenii., Gorkii, p 54, 1981. [all data]
Mellan, 1962
Mellan, I.,
Polyhydric Alcohols, Spartan Books: Washington, DC, 1962. [all data]
Clendenning, Macdonald, et al., 1950
Clendenning, K.A.; Macdonald, F.J.; Wright, D.E.,
Effects of position isomerism on the physical properties of glycols,
Can. J. Res., Sect. B, 1950, 28, 608-22. [all data]
Knauth and Sabbah, 1990, 2
Knauth, P.; Sabbah, R.,
Can. J. Chem., 1990, 68, 731. [all data]
Vasil'ev and Petrov, 1984
Vasil'ev, I.A.; Petrov, V.M.,
Thermodynamic Properties of Oxygen-containing Organic Compounds, Handbook, Soedinenii: Khimya, Leningrad, p 240, 1984. [all data]
Nistratov, Babinkov, et al., 1979, 2
Nistratov, V.P.; Babinkov, A.G.; Shvetsova, K.G.; Kapteva, S.A.,
Heat capacity and thermodynamic functions of tetramethylene glycol.,
Termodin. Org. Soedin., 1979, No. 8, 33. [all data]
Wilson, Wilson, et al., 1996
Wilson, L.C.; Wilson, H.L.; Wilding, W.V.; Wilson, G.M.,
Critical Point Measurements for Fourteen Compounds by a Static Method and a Flow Method,
J. Chem. Eng. Data, 1996, 41, 1252-4. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Crowder and Bartmess, 1993
Crowder, C.; Bartmess, J.,
The Gas Phase Acidities of Diols,
J. Am. Soc. Mass Spectrom., 1993, 4, 9, 723, https://doi.org/10.1016/1044-0305(93)80051-Y
. [all data]
Houriet, Tabet, et al., 1984
Houriet, R.; Tabet, J.-C.; Tchapla, A.,
Gas-phase Acidities of Aliphatic and Cyclic Diols,
Spectros. Int. J., (1984),, 1984, 3, 132.. [all data]
Zhang, Beglinger, et al., 1995
Zhang, W.; Beglinger, C.; Stone, J.A.,
High-pressure mass spectrometric study of the gas-phase association of Cl- with alpha,omega-diols,
J. Phys. Chem., 1995, 99, 30, 11673, https://doi.org/10.1021/j100030a009
. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Bouchoux, Buisson, et al., 2003
Bouchoux, G.; Buisson, D.A.; Bourcier, S.; Sablier, M.,
Application of the kinetic method to bifunctional bases. ESI tandem quadrupole experiments,
Int. J. Mass Spectrom., 2003, 228, 1035. [all data]
Holmes, Mommers, et al., 1984
Holmes, J.L.; Mommers, A.A.; Szulejko, J.E.; Terlouw, J.K.,
Two new stable [C3H8O]+ isomers: The radical cations [C3H6OH2]+,
J. Chem. Soc., Chem. Commun., 1984, 165. [all data]
Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S.,
Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]
Casteignau and Villessot, 1968
Casteignau, G.; Villessot, D.,
Identification par chromatographie en phase gaseuse de composés difonctionnels insaturés. I. Synthèse et indices de rétention,
Bull. Soc. Chim. Fr., 1968, 9, 3893-3903. [all data]
Anderson, Jurel, et al., 1973
Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L.,
Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases,
Latv. PSR Zinat. Akad. Vestis Kim. Ser., 1973, 1, 51-63. [all data]
Sun and Stremple, 2003
Sun, G.; Stremple, P.,
Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB, 2003, retrieved from http://www.chem.agilent.com/cag/cabu/pdf/b-0279.pdf. [all data]
Peng, 2000
Peng, C.T.,
Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index,
J. Chromatogr. A, 2000, 903, 1-2, 117-143, https://doi.org/10.1016/S0021-9673(00)00901-8
. [all data]
Shibamoto, 1987
Shibamoto, T.,
Retention Indices in Essential Oil Analysis
in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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